N-[3-(1H-indol-1-yl)propyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

• ChemBase ID: 786147
• Molecular Formular: C21H25N3O3
• Molecular Mass: 367.4415
• Monoisotopic Mass: 367.18959168
• SMILES: c1(cc(oc1)CN1CCOCC1)C(=O)NCCCn1ccc2c1cccc2
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C21H25N3O3/c25-21(18-14-19(27-16-18)15-23-10-12-26-13-11-23)22-7-3-8-24-9-6-17-4-1-2-5-20(17)24/h1-2,4-6,9,14,16H,3,7-8,10-13,15H2,(H,22,25)
• InChIKey: VQBCSYNIPIGQLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indol-1-yl)propyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• IUPAC Traditional name: N-[3-(indol-1-yl)propyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• Synonyms: N-[3-(1H-indol-1-yl)propyl]-5-(morpholin-4-ylmethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.923991
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6836585
• LogD (pH = 7.4): 2.0086129
• Log P: 2.014824
• Molar Refractivity: 104.9788 cm^3
• Polarizability: 41.04187 Å^3
• Polar Surface Area: 59.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.93
• LOG S: -3.53
• Polar Surface Area: 59.64 Å^2
• Rotatable Bonds: 7